TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 554.622 | Formula: C27H33F3N2O5S
H donors: 1 H acceptors: 2 LogP: 5.3 Rotable bonds: 8
Rule of 5 violations (Lipinski): 2
SMILES: FC(COc1ccccc1C1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc2c(c1)OCCO2)(F)F
InChi: 1S/C27H33F3N2O5S/c28-27(29,30)18-37-24-4-2-1-3-23(24)19-11-13-32(14-12-19)21-7-5-20(6-8-21)31-38(33,34)22-9-10-25-26(17-22)36-16-15-35-25/h1-4,9-10,17,19-21,31H,5-8,11-16,18H2/t20-,21+
InChiKey: PPAIEDLGYFCKEB-OYRHEFFESA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	dopamine receptor D2	Starlite/ChEMBL	References
Homo sapiens	adrenoceptor alpha 1D	Starlite/ChEMBL	References
Homo sapiens	adrenoceptor alpha 1B	Starlite/ChEMBL	References
Homo sapiens	adrenoceptor alpha 1A	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	amine GPCR	Get druggable targets OG5_128924	All targets in OG5_128924
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Get druggable targets OG5_128924	All targets in OG5_128924
Schistosoma japonicum	Alpha-1D adrenergic receptor, putative	Get druggable targets OG5_128924	All targets in OG5_128924

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	tubulin beta-4 chain	0.0499	1	1
Schistosoma mansoni	alpha tubulin	0.0367	0.7263	0.7263
Echinococcus granulosus	tubulin alpha chain	0.0367	0.7263	0.7263
Leishmania major	epsilon tubulin, putative	0.0266	0.5175	0.5143
Toxoplasma gondii	beta tubulin	0.0499	1	1
Toxoplasma gondii	beta-1 tubulin, putative	0.0499	1	1
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0017	0.0013	0.0013
Brugia malayi	RNA recognition motif domain containing protein	0.0063	0.0963	0.0963
Leishmania major	alpha tubulin	0.0367	0.7263	0.7245
Trichomonas vaginalis	tubulin beta-1 chain, putative	0.0115	0.206	0.1949
Leishmania major	alpha tubulin	0.0367	0.7263	0.7245
Brugia malayi	beta-tubulin, identical	0.0499	1	1
Leishmania major	trypanothione reductase	0.0065	0.1022	0.0964
Loa Loa (eye worm)	tubulin alpha 2	0.0251	0.4873	0.4873
Echinococcus granulosus	tubulin subunit TubB	0.0367	0.7263	0.7263
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.0716	0.0716
Leishmania major	alpha tubulin	0.0367	0.7263	0.7245
Schistosoma mansoni	tubulin subunit alpha	0.0367	0.7263	0.7263
Echinococcus granulosus	tubulin alpha chain	0.0367	0.7263	0.7263
Trichomonas vaginalis	tubulin beta chain, putative	0.0367	0.7263	0.7225
Trichomonas vaginalis	tubulin alpha chain, putative	0.0266	0.5175	0.5107
Trypanosoma brucei	epsilon tubulin	0.0266	0.5175	0.5143
Brugia malayi	Cell division protein ftsZ	0.0115	0.206	0.2059
Loa Loa (eye worm)	alpha-tubulin	0.0367	0.7263	0.7263
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0023	0.0138	0.0074
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0017	0.0013	0.0013
Schistosoma mansoni	tubulin subunit alpha	0.0367	0.7263	0.7263
Brugia malayi	tubulin alpha-2 chain	0.0367	0.7263	0.7263
Leishmania major	alpha tubulin	0.0367	0.7263	0.7245
Brugia malayi	TAR-binding protein	0.0063	0.0963	0.0963
Loa Loa (eye worm)	tubulin gamma chain	0.0266	0.5175	0.5175
Trichomonas vaginalis	tubulin gamma chain, putative	0.0266	0.5175	0.5107
Trypanosoma brucei	epsilon tubulin	0.0266	0.5175	0.5143
Trypanosoma brucei	tubulin delta chain	0.0115	0.206	0.2008
Trypanosoma cruzi	beta tubulin, putative	0.0499	1	1
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0178	0.3357	1
Loa Loa (eye worm)	tubulin beta chain	0.0115	0.206	0.2059
Leishmania major	beta tubulin	0.0499	1	1
Echinococcus multilocularis	tar DNA binding protein	0.0063	0.0963	0.0963
Schistosoma mansoni	tumor necrosis factor receptor related	0.0043	0.0565	0.0565
Trichomonas vaginalis	conserved hypothetical protein	0.0115	0.206	0.1949
Trypanosoma cruzi	epsilon tubulin, putative	0.0266	0.5175	0.5143
Brugia malayi	ABC transporter family protein	0.0016	0.0005	0.0004
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0216	0.4148	0.4066
Echinococcus multilocularis	tubulin alpha 3 chain	0.0367	0.7263	0.7263
Echinococcus multilocularis	tubulin alpha 1C chain	0.0367	0.7263	0.7263
Echinococcus granulosus	Tubulin alpha 1 chain	0.0367	0.7263	0.7263
Trichomonas vaginalis	tubulin, putative	0.0499	1	1
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0023	0.0138	0.0074
Plasmodium falciparum	alpha tubulin 2	0.0367	0.7263	0.7245
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0237	0.4583	0.4582
Loa Loa (eye worm)	hypothetical protein	0.0251	0.4873	0.4873
Echinococcus granulosus	Tubulin alpha 1 chain	0.0367	0.7263	0.7263
Echinococcus multilocularis	geminin	0.0172	0.3229	0.3229
Brugia malayi	Protein kinase domain containing protein	0.0028	0.0256	0.0256
Echinococcus granulosus	tubulin epsilon chain	0.0266	0.5175	0.5175
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.0716	0.0716
Echinococcus multilocularis	tubulin delta chain	0.0115	0.206	0.2059
Echinococcus multilocularis	lipoxygenase domain containing protein	0.004	0.049	0.049
Leishmania major	beta tubulin	0.0499	1	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0367	0.7263	0.7263
Leishmania major	beta tubulin	0.0499	1	1
Echinococcus granulosus	tubulin alpha 1C chain	0.0367	0.7263	0.7263
Onchocerca volvulus		0.004	0.049	0.0755
Brugia malayi	Tubulin beta chain	0.0115	0.206	0.2059
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0023	0.0138	0.0366
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0023	0.0138	0.0138
Leishmania major	alpha tubulin	0.0367	0.7263	0.7245
Plasmodium vivax	multidomain scavenger receptor, putative	0.004	0.049	0.0428
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0023	0.0138	0.0669
Leishmania major	beta tubulin	0.0499	1	1
Plasmodium falciparum	LCCL domain-containing protein	0.004	0.049	0.0428
Trypanosoma cruzi	epsilon tubulin, putative	0.0266	0.5175	0.5143
Toxoplasma gondii	alpha tubulin TUBA1	0.0367	0.7263	0.7245
Loa Loa (eye worm)	BEN-1 protein	0.0499	1	1
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0023	0.0138	0.0366
Trypanosoma cruzi	tubulin gamma chain	0.0266	0.5175	0.5143
Echinococcus granulosus	netrin receptor unc 5	0.0028	0.0256	0.0256
Brugia malayi	alpha-tubulin	0.0367	0.7263	0.7263
Echinococcus multilocularis	Tubulin beta 2C chain	0.0499	1	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0385	0.0385
Leishmania major	beta tubulin	0.0499	1	1
Echinococcus multilocularis	tubulin alpha	0.0266	0.5175	0.5175
Schistosoma mansoni	amine GPCR	0.0411	0.8187	0.8187
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0266	0.5175	0.5143
Entamoeba histolytica	tubulin family protein	0.0499	1	1
Echinococcus granulosus	beta tubulin	0.0499	1	1
Brugia malayi	Tubulin gamma chain	0.0266	0.5175	0.5175
Trichomonas vaginalis	conserved hypothetical protein	0.0115	0.206	0.1949
Echinococcus multilocularis	tubulin alpha 3 chain	0.0367	0.7263	0.7263
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0367	0.7263	0.7225
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.0716	0.0716
Loa Loa (eye worm)	tubulin alpha-3 chain	0.0216	0.4148	0.4148
Echinococcus multilocularis	Ankyrin	0.0028	0.0256	0.0256
Loa Loa (eye worm)	tubulin beta-1 chain	0.0499	1	1
Echinococcus granulosus	tubulin gamma 1 chain	0.0266	0.5175	0.5175
Trichomonas vaginalis	tubulin beta chain, putative	0.0499	1	1
Schistosoma mansoni	hypothetical protein	0.0172	0.3229	0.3229
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0023	0.0138	0.0138
Echinococcus granulosus	tubulin alpha 1C chain	0.0367	0.7263	0.7263
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0023	0.0138	0.0366
Echinococcus multilocularis	netrin receptor unc 5	0.0028	0.0256	0.0256
Schistosoma mansoni	tubulin subunit beta	0.0499	1	1
Echinococcus multilocularis	ankyrin repeat and death domain containing protein	0.0028	0.0256	0.0256
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0716	0.0716
Echinococcus multilocularis	Tubulin beta 2C chain	0.0499	1	1
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0115	0.206	0.2008
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0499	1	1
Echinococcus granulosus	tubulin subunit beta	0.0499	1	1
Trypanosoma brucei	epsilon tubulin	0.0266	0.5175	0.5143
Leishmania major	beta tubulin	0.0499	1	1
Loa Loa (eye worm)	glutathione reductase	0.0065	0.1022	0.1022
Echinococcus multilocularis	tubulin beta 1 chain	0.0499	1	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0028	0.0256	0.0256
Giardia lamblia	Epsilon tubulin	0.0115	0.206	0.2012
Echinococcus granulosus	tubulin alpha chain	0.0367	0.7263	0.7263
Echinococcus multilocularis	ATP binding cassette sub family G	0.0019	0.0065	0.0064
Trichomonas vaginalis	tubulin gamma chain, putative	0.0266	0.5175	0.5107
Trypanosoma brucei	zeta tubulin	0.0115	0.206	0.2008
Trichomonas vaginalis	tubulin beta chain, putative	0.0367	0.7263	0.7225
Loa Loa (eye worm)	beta-tubulin	0.0499	1	1
Schistosoma mansoni	tubulin subunit beta	0.0499	1	1
Echinococcus granulosus	beta tubulin	0.0499	1	1
Plasmodium vivax	tubulin beta chain, putative	0.0499	1	1
Leishmania major	alpha tubulin	0.0367	0.7263	0.7245
Loa Loa (eye worm)	hypothetical protein	0.004	0.049	0.049
Echinococcus granulosus	lipoxygenase domain containing protein	0.004	0.049	0.049
Loa Loa (eye worm)	tubulin alpha 2	0.0101	0.1757	0.1757
Leishmania major	beta tubulin	0.0499	1	1
Echinococcus multilocularis	tubulin subunit TubB	0.0367	0.7263	0.7263
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0115	0.206	0.1949
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0023	0.0138	0.0074
Trypanosoma brucei	beta tubulin	0.0266	0.5175	0.5143
Leishmania major	delta tubulin, putative	0.0115	0.206	0.2008
Trichomonas vaginalis	tubulin gamma chain, putative	0.0499	1	1
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0023	0.0138	0.0074
Entamoeba histolytica	tubulin alpha chain, putative	0.0367	0.7263	0.7245
Echinococcus granulosus	Tubulin alpha 1 chain	0.0367	0.7263	0.7263
Leishmania major	alpha tubulin	0.0367	0.7263	0.7245
Giardia lamblia	Beta tubulin	0.0499	1	1
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0023	0.0138	0.0138
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0963	0.0963
Mycobacterium tuberculosis	Probable oxidoreductase	0.0023	0.0138	0.0669
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0023	0.0138	0.0074
Trypanosoma brucei	beta tubulin	0.0499	1	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0151	0.2784	0.2683
Echinococcus multilocularis	tubulin epsilon chain	0.0266	0.5175	0.5175
Brugia malayi	Death domain containing protein	0.0028	0.0256	0.0256
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0023	0.0138	0.0138
Loa Loa (eye worm)	tubulin alpha chain	0.0367	0.7263	0.7263
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0963	0.0963
Brugia malayi	glutathione reductase	0.0065	0.1022	0.1022
Schistosoma mansoni	rab6-interacting	0.004	0.049	0.049
Trypanosoma brucei	zeta tubulin, putative	0.0115	0.206	0.2008
Schistosoma mansoni	tubulin subunit gamma	0.0266	0.5175	0.5175
Leishmania major	beta tubulin	0.0499	1	1
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0115	0.206	0.2008
Echinococcus granulosus	thioredoxin glutathione reductase	0.0065	0.1022	0.1022
Schistosoma mansoni	ankyrin 23/unc44	0.0028	0.0256	0.0256
Plasmodium falciparum	thioredoxin reductase	0.0065	0.1022	0.0964
Echinococcus multilocularis	peroxisome assembly protein 26	0.0367	0.7263	0.7263
Brugia malayi	Uncoordinated protein 44	0.0028	0.0256	0.0256
Leishmania major	gamma-tubulin	0.0266	0.5175	0.5143
Plasmodium falciparum	tubulin gamma chain	0.0266	0.5175	0.5143
Schistosoma mansoni	tubulin subunit beta	0.0499	1	1
Brugia malayi	Tubulin alpha chain	0.0367	0.7263	0.7263
Echinococcus granulosus	tubulin alpha 3 chain	0.0367	0.7263	0.7263
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0023	0.0138	0.0074
Giardia lamblia	Beta tubulin	0.0499	1	1
Echinococcus granulosus	RUN	0.004	0.049	0.049
Echinococcus granulosus	tubulin alpha 3 chain	0.0367	0.7263	0.7263
Echinococcus multilocularis	tubulin alpha chain	0.0367	0.7263	0.7263
Echinococcus granulosus	tumor necrosis factor receptor superfamily	0.0043	0.0565	0.0565
Onchocerca volvulus		0.004	0.049	0.0755
Echinococcus granulosus	ATP binding cassette sub family G	0.0019	0.0065	0.0064
Trichomonas vaginalis	tubulin beta chain, putative	0.0367	0.7263	0.7225
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0023	0.0138	0.0074
Brugia malayi	Thioredoxin reductase	0.0065	0.1022	0.1022
Trypanosoma cruzi	zeta tubulin, putative	0.0115	0.206	0.2008
Trypanosoma cruzi	trypanothione reductase, putative	0.0023	0.0138	0.0074
Schistosoma mansoni	tubulin subunit beta	0.0499	1	1
Toxoplasma gondii	thioredoxin reductase	0.0065	0.1022	0.0964
Plasmodium vivax	glutathione reductase, putative	0.0065	0.1022	0.0964
Brugia malayi	Tubulin alpha-2 chain	0.0367	0.7263	0.7263
Echinococcus granulosus	ATP binding cassette sub family G	0.0019	0.0065	0.0064
Treponema pallidum	cell division protein FtsZ	0.0115	0.206	1
Plasmodium vivax	tubulin gamma chain, putative	0.0266	0.5175	0.5143
Echinococcus multilocularis	Polycystic kidney disease protein	0.004	0.049	0.049
Leishmania major	beta tubulin	0.0499	1	1
Brugia malayi	Doublecortin family protein	0.004	0.049	0.049
Loa Loa (eye worm)	transcription factor SMAD2	0.0121	0.2177	0.2177
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0367	0.7263	0.7263
Schistosoma mansoni	netrin receptor unc5	0.0028	0.0256	0.0256
Echinococcus granulosus	ankyrin repeat and death domain containing protein	0.0028	0.0256	0.0256
Trypanosoma cruzi	trypanothione reductase, putative	0.0065	0.1022	0.0964
Echinococcus multilocularis	TNFR CD27 30 40 95 cysteine rich region	0.0043	0.0565	0.0565
Leishmania major	beta tubulin	0.0499	1	1
Trypanosoma brucei	tubulin gamma chain	0.0266	0.5175	0.5143
Plasmodium falciparum	alpha tubulin 1	0.0367	0.7263	0.7245
Schistosoma mansoni	hypothetical protein	0.004	0.049	0.049
Mycobacterium tuberculosis	Cell division protein FtsZ	0.0115	0.206	1
Loa Loa (eye worm)	doublecortin family protein	0.004	0.049	0.049
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0023	0.0138	0.0074
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0023	0.0138	0.0669
Leishmania major	alpha tubulin	0.0367	0.7263	0.7245
Toxoplasma gondii	NADPH-glutathione reductase	0.0023	0.0138	0.0074
Leishmania major	alpha tubulin	0.0367	0.7263	0.7245
Loa Loa (eye worm)	RNA binding protein	0.0063	0.0963	0.0963
Schistosoma mansoni	retinoblastoma-binding protein 4 (rbbp4)	0.0028	0.0256	0.0256
Loa Loa (eye worm)	MH2 domain-containing protein	0.0121	0.2177	0.2177
Echinococcus granulosus	death domain containing protein	0.0028	0.0256	0.0256
Echinococcus multilocularis	tubulin alpha chain	0.0367	0.7263	0.7263
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0963	0.0963
Brugia malayi	MH2 domain containing protein	0.0121	0.2177	0.2177
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0023	0.0138	0.0074
Entamoeba histolytica	tubulin family protein	0.0499	1	1
Trypanosoma cruzi	zeta tubulin, putative	0.0115	0.206	0.2008
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0023	0.0138	0.0669
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0385	0.0385
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0251	0.4873	0.4801
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0023	0.0138	0.0074
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0065	0.1022	0.1022
Loa Loa (eye worm)	hypothetical protein	0.0216	0.4148	0.4148
Leishmania major	zeta tubulin, putative	0.0115	0.206	0.2008
Loa Loa (eye worm)	hypothetical protein	0.004	0.049	0.049
Plasmodium falciparum	tubulin delta chain, putative	0.0115	0.206	0.2008
Schistosoma mansoni	lipoxygenase	0.0237	0.4583	0.4583
Trypanosoma brucei	beta tubulin	0.0499	1	1
Echinococcus multilocularis	ATP binding cassette sub family G	0.0019	0.0065	0.0064
Trichomonas vaginalis	tubulin alpha chain, putative	0.0151	0.2784	0.2683
Echinococcus multilocularis	Tubulin beta 2C chain	0.0499	1	1
Toxoplasma gondii	beta-tubulin, putative	0.0499	1	1
Echinococcus multilocularis	tubulin gamma 1 chain	0.0266	0.5175	0.5175
Giardia lamblia	Gamma tubulin	0.0266	0.5175	0.5146
Plasmodium vivax	thioredoxin reductase, putative	0.0065	0.1022	0.0964
Plasmodium vivax	tubulin epsilon chain, putative	0.0266	0.5175	0.5143
Echinococcus granulosus	tar DNA binding protein	0.0063	0.0963	0.0963
Plasmodium falciparum	tubulin beta chain	0.0499	1	1
Schistosoma mansoni	ABC transporter	0.0016	0.0005	0.0005
Onchocerca volvulus		0.0151	0.2784	0.8154
Loa Loa (eye worm)	BEN-1 protein	0.0499	1	1
Loa Loa (eye worm)	tubulin alpha chain	0.0367	0.7263	0.7263
Schistosoma mansoni	hypothetical protein	0.0028	0.0256	0.0256
Brugia malayi	hypothetical protein	0.004	0.049	0.049
Echinococcus granulosus	tubulin alpha	0.0266	0.5175	0.5175
Loa Loa (eye worm)	tubulin alpha 2	0.0251	0.4873	0.4873
Trypanosoma cruzi	tubulin delta chain	0.0115	0.206	0.2008
Echinococcus multilocularis	tubulin alpha chain	0.0367	0.7263	0.7263
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0367	0.7263	0.7225
Schistosoma mansoni	tubulin subunit beta	0.0115	0.206	0.206
Echinococcus granulosus	alpha tubulin	0.0367	0.7263	0.7263
Echinococcus granulosus	Tubulin beta 2C chain	0.0499	1	1
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0023	0.0138	0.0074
Mycobacterium ulcerans	cell division protein FtsZ	0.0115	0.206	1
Echinococcus multilocularis	tumor necrosis factor receptor superfamily	0.0043	0.0565	0.0565
Schistosoma mansoni	ATP-binding cassette sub-family g2 (white protein) (abcg2)	0.0019	0.0065	0.0065
Trypanosoma brucei	alpha tubulin	0.0367	0.7263	0.7245
Schistosoma mansoni	polycystin 1-related	0.004	0.049	0.049
Mycobacterium leprae	cell division protein FtsZ	0.0115	0.206	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0499	1	1
Leishmania major	beta tubulin	0.0499	1	1
Giardia lamblia	Delta tubulin	0.0115	0.206	0.2012
Trypanosoma cruzi	tubulin delta chain	0.0115	0.206	0.2008
Trypanosoma brucei	alpha tubulin	0.0367	0.7263	0.7245
Giardia lamblia	Alpha-tubulin	0.0367	0.7263	0.7247
Echinococcus granulosus	geminin	0.0172	0.3229	0.3229
Loa Loa (eye worm)	hypothetical protein	0.0178	0.3357	0.3356
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0063	0.0963	0.0963
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0963	0.0963
Trypanosoma brucei	alpha tubulin	0.0367	0.7263	0.7245
Toxoplasma gondii	alpha-tubulin I, putative	0.0367	0.7263	0.7245
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0023	0.0138	0.0078
Brugia malayi	hypothetical protein	0.004	0.049	0.049
Trichomonas vaginalis	tubulin beta chain, putative	0.0367	0.7263	0.7225
Trypanosoma cruzi	alpha tubulin, putative	0.0367	0.7263	0.7245
Echinococcus granulosus	tubulin beta 1 chain	0.0499	1	1
Schistosoma mansoni	hypothetical protein	0.0172	0.3229	0.3229
Plasmodium vivax	tubulin alpha chain, putative	0.0367	0.7263	0.7245
Echinococcus multilocularis	tubulin alpha 1C chain	0.0367	0.7263	0.7263
Schistosoma mansoni	hypothetical protein	0.0035	0.0385	0.0385
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0367	0.7263	0.7225
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0023	0.0138	0.0074
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0023	0.0138	0.0074
Echinococcus granulosus	Polycystic kidney disease protein	0.004	0.049	0.049
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0023	0.0138	0.5
Trichomonas vaginalis	tubulin beta chain, putative	0.0367	0.7263	0.7225
Schistosoma mansoni	alpha tubulin	0.0367	0.7263	0.7263
Echinococcus multilocularis	tubulin subunit beta	0.0499	1	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0151	0.2784	0.2683
Loa Loa (eye worm)	tubulin beta chain	0.0499	1	1
Echinococcus granulosus	lipoxygenase domain containing protein	0.004	0.049	0.049
Echinococcus granulosus	tubulin beta 4A class IVa	0.0499	1	1
Schistosoma mansoni	tubulin subunit beta	0.0499	1	1
Echinococcus multilocularis	tubulin alpha chain	0.0367	0.7263	0.7263
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0023	0.0138	0.0074
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0256	0.0256
Entamoeba histolytica	tubulin gamma chain	0.0266	0.5175	0.5143
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0023	0.0138	0.0074
Giardia lamblia	Beta tubulin	0.0499	1	1
Schistosoma mansoni	tubulin subunit epsilon	0.0266	0.5175	0.5175
Leishmania major	alpha tubulin	0.0367	0.7263	0.7245
Schistosoma mansoni	lipoxygenase	0.0166	0.3104	0.3104
Trichomonas vaginalis	tubulin beta chain, putative	0.0367	0.7263	0.7225
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0065	0.1022	0.4963
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0499	1	1
Leishmania major	beta tubulin	0.0499	1	1
Echinococcus granulosus	Ankyrin	0.0028	0.0256	0.0256
Loa Loa (eye worm)	ABC transporter	0.0016	0.0005	0.0004
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0023	0.0138	0.0074
Plasmodium falciparum	thioredoxin reductase	0.0023	0.0138	0.0074
Echinococcus multilocularis	hypothetical protein	0.0367	0.7263	0.7263
Echinococcus multilocularis	lipoxygenase domain containing protein	0.004	0.049	0.049
Loa Loa (eye worm)	thioredoxin reductase	0.0065	0.1022	0.1022
Plasmodium falciparum	tubulin epsilon chain, putative	0.0266	0.5175	0.5143
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0367	0.7263	0.7263
Brugia malayi	Tubulin alpha-2 chain	0.0367	0.7263	0.7263
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0023	0.0138	0.0074
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0151	0.2784	0.2683
Echinococcus multilocularis	Tubulin beta 2C chain	0.0499	1	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0499	1	1
Trypanosoma brucei	beta tubulin	0.0499	1	1
Trypanosoma brucei	alpha tubulin, putative	0.0151	0.2784	0.2737
Leishmania major	beta tubulin	0.0499	1	1
Leishmania major	beta tubulin	0.0499	1	1
Leishmania major	beta tubulin	0.0499	1	1
Trichomonas vaginalis	tubulin, putative	0.0115	0.206	0.1949
Echinococcus multilocularis	beta tubulin	0.0499	1	1
Plasmodium falciparum	glutathione reductase	0.0023	0.0138	0.0074
Trichomonas vaginalis	tubulin gamma chain, putative	0.0115	0.206	0.1949
Leishmania major	beta tubulin	0.0499	1	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0023	0.0138	0.0074
Loa Loa (eye worm)	tubulin beta-2A chain	0.0499	1	1
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0028	0.0256	0.0256
Leishmania major	alpha tubulin	0.0367	0.7263	0.7245
Echinococcus granulosus	Tubulin beta 2C chain	0.0499	1	1
Echinococcus granulosus	tubulin delta chain	0.0115	0.206	0.2059
Trichomonas vaginalis	tubulin beta chain, putative	0.0151	0.2784	0.2683
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0237	0.4583	0.4582
Echinococcus multilocularis	tubulin alpha chain	0.0367	0.7263	0.7263
Echinococcus multilocularis	beta tubulin	0.0499	1	1
Brugia malayi	tubulin alpha chain - mouse	0.0367	0.7263	0.7263
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0499	1	1
Echinococcus granulosus	ATP binding cassette sub family G	0.0019	0.0065	0.0064
Schistosoma mansoni	tubulin subunit alpha	0.0115	0.206	0.206
Leishmania major	alpha tubulin	0.0367	0.7263	0.7245
Schistosoma mansoni	rab6-interacting	0.004	0.049	0.049
Echinococcus granulosus	tubulin alpha chain	0.0367	0.7263	0.7263
Echinococcus granulosus	peroxisome assembly protein 26	0.0367	0.7263	0.7263
Echinococcus multilocularis	Tubulin beta 2C chain	0.0499	1	1
Schistosoma mansoni	loxhd1	0.004	0.049	0.049
Loa Loa (eye worm)	alpha-tubulin	0.0367	0.7263	0.7263
Loa Loa (eye worm)	TAR-binding protein	0.0063	0.0963	0.0963
Plasmodium vivax	delta tubulin, putative	0.0115	0.206	0.2008
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0367	0.7263	0.7263
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0023	0.0138	0.0074
Trypanosoma brucei	alpha tubulin	0.0367	0.7263	0.7245
Echinococcus granulosus	Tubulin beta 2C chain	0.0499	1	1
Echinococcus multilocularis	RUN	0.004	0.049	0.049
Trichomonas vaginalis	tubulin, putative	0.0151	0.2784	0.2683
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0023	0.0138	0.0074
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0256	0.0256
Entamoeba histolytica	tubulin alpha-1 chain	0.0367	0.7263	0.7245
Loa Loa (eye worm)	hypothetical protein	0.0367	0.7263	0.7263
Giardia lamblia	Alpha-tubulin	0.0367	0.7263	0.7247
Echinococcus granulosus	Tubulin beta 2C chain	0.0499	1	1
Brugia malayi	Tubulin alpha chain	0.0115	0.206	0.2059
Schistosoma mansoni	tubulin subunit beta	0.0499	1	1
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0251	0.4873	0.4873
Brugia malayi	N-terminal motif family protein	0.0178	0.3357	0.3356
Echinococcus multilocularis	ATP binding cassette sub family G	0.0019	0.0065	0.0064
Plasmodium falciparum	glutathione reductase	0.0065	0.1022	0.0964
Leishmania major	beta tubulin	0.0499	1	1
Leishmania major	beta tubulin	0.0499	1	1
Trichomonas vaginalis	tubulin, putative	0.0151	0.2784	0.2683
Schistosoma mansoni	alpha tubulin	0.0367	0.7263	0.7263
Plasmodium vivax	tubulin alpha chain, putative	0.0367	0.7263	0.7245
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0023	0.0138	0.0074
Echinococcus granulosus	tubulin alpha chain	0.0367	0.7263	0.7263
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsZ	0.0115	0.206	1
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0963	0.0963
Trypanosoma brucei	trypanothione reductase	0.0065	0.1022	0.0964
Schistosoma mansoni	tubulin subunit alpha	0.0367	0.7263	0.7263
Schistosoma mansoni	tubulin subunit delta	0.0115	0.206	0.206
Echinococcus granulosus	TNFR CD27 30 40 95 cysteine rich region	0.0043	0.0565	0.0565
Brugia malayi	RNA binding protein	0.0063	0.0963	0.0963
Brugia malayi	Tubulin beta chain	0.0151	0.2784	0.2784
Trypanosoma brucei	beta tubulin	0.0499	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 3 nM	Binding affinity to human cloned adrenergic alpha1d receptor	ChEMBL.	17517507
Ki (binding)	= 3 nM	Binding affinity to human cloned adrenergic alpha1d receptor	ChEMBL.	17517507
Ki (binding)	= 4 nM	Binding affinity to human cloned adrenergic alpha1a receptor	ChEMBL.	17517507
Ki (binding)	= 4 nM	Binding affinity to human cloned adrenergic alpha1a receptor	ChEMBL.	17517507
Ki (binding)	= 57 nM	Binding affinity for dopamine D2 receptor	ChEMBL.	17517507
Ki (binding)	= 57 nM	Binding affinity for dopamine D2 receptor	ChEMBL.	17517507
Ki (binding)	= 92 nM	Binding affinity to human cloned adrenergic alpha1b receptor	ChEMBL.	17517507
Ki (binding)	= 92 nM	Binding affinity to human cloned adrenergic alpha1b receptor	ChEMBL.	17517507

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL439197

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 430196